5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

C20H24F2N8O — CID 166507474

IUPAC5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CCC(CNCC(F)F)C4)cn3)nc(C)c2n1
InChIInChI=1S/C20H24F2N8O/c1-12-9-30-11-17(27-13(2)19(30)26-12)28-20(31)15-6-25-18(8-24-15)29-4-3-14(10-29)5-23-7-16(21)22/h6,8-9,11,14,16,23H,3-5,7,10H2,1-2H3,(H,28,31)
InChIKeyKYYQORIRFNPPKN-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.07
Rot. Bonds7

About 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507474) has the molecular formula C20H24F2N8O and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507474
Molecular FormulaC20H24F2N8O
Molecular Weight430.46 g/mol
Exact Mass430.20
IUPAC Name5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CCC(CNCC(F)F)C4)cn3)nc(C)c2n1
InChIInChI=1S/C20H24F2N8O/c1-12-9-30-11-17(27-13(2)19(30)26-12)28-20(31)15-6-25-18(8-24-15)29-4-3-14(10-29)5-23-7-16(21)22/h6,8-9,11,14,16,23H,3-5,7,10H2,1-2H3,(H,28,31)
InChIKeyKYYQORIRFNPPKN-UHFFFAOYSA-N
XLogP2.07
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Imidazo[1,2-a]pyrazin-8-yl-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72121212
N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 163518335
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 166507910
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507966
1-(3-(1,7-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)propyl)piperidine-4-carboxamide
CID 16425843
5-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 172448798
5-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 172460642
N-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide
CID 124873910
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]acetamide
CID 118471970
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide
CID 118476083
N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide
CID 123540372
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide
CID 123618935

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507474) is 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CCC(CNCC(F)F)C4)cn3)nc(C)c2n1.
What is the InChIKey of 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is KYYQORIRFNPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N8O/c1-12-9-30-11-17(27-13(2)19(30)26-12)28-20(31)15-6-25-18(8-24-15)29-4-3-14(10-29)5-23-7-16(21)22/h6,8-9,11,14,16,23H,3-5,7,10H2,1-2H3,(H,28,31).
What are the key properties of 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,2-difluoroethylamino)methyl]pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).